but-2-yne;ethane;1,2,3,7-tetramethylpyrrolo[2,3-c]pyridine

C17H26N2 — CID 90723925

IUPACbut-2-yne;ethane;1,2,3,7-tetramethylpyrrolo[2,3-c]pyridine
SMILESCC.CC#CC.Cc1c(C)n(C)c2c(C)nccc12
InChIInChI=1S/C11H14N2.C4H6.C2H6/c1-7-9(3)13(4)11-8(2)12-6-5-10(7)11;1-3-4-2;1-2/h5-6H,1-4H3;1-2H3;1-2H3
InChIKeyAZMIZPLGJGTVRS-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.55
Rot. Bonds

About but-2-yne;ethane;1,2,3,7-tetramethylpyrrolo[2,3-c]pyridine

but-2-yne;ethane;1,2,3,7-tetramethylpyrrolo[2,3-c]pyridine (PubChem CID 90723925) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is but-2-yne;ethane;1,2,3,7-tetramethylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Namebut-2-yne;ethane;1,2,3,7-tetramethylpyrrolo[2,3-c]pyridine
PubChem CID90723925
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Namebut-2-yne;ethane;1,2,3,7-tetramethylpyrrolo[2,3-c]pyridine
SMILESCC.CC#CC.Cc1c(C)n(C)c2c(C)nccc12
InChIInChI=1S/C11H14N2.C4H6.C2H6/c1-7-9(3)13(4)11-8(2)12-6-5-10(7)11;1-3-4-2;1-2/h5-6H,1-4H3;1-2H3;1-2H3
InChIKeyAZMIZPLGJGTVRS-UHFFFAOYSA-N
XLogP4.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-2-yne;ethane;1,2,3,7-tetramethylpyrrolo[2,3-c]pyridine?
The IUPAC name of but-2-yne;ethane;1,2,3,7-tetramethylpyrrolo[2,3-c]pyridine (CID 90723925) is but-2-yne;ethane;1,2,3,7-tetramethylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for but-2-yne;ethane;1,2,3,7-tetramethylpyrrolo[2,3-c]pyridine?
The canonical SMILES for but-2-yne;ethane;1,2,3,7-tetramethylpyrrolo[2,3-c]pyridine is CC.CC#CC.Cc1c(C)n(C)c2c(C)nccc12.
What is the InChIKey of but-2-yne;ethane;1,2,3,7-tetramethylpyrrolo[2,3-c]pyridine?
The InChIKey is AZMIZPLGJGTVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.C4H6.C2H6/c1-7-9(3)13(4)11-8(2)12-6-5-10(7)11;1-3-4-2;1-2/h5-6H,1-4H3;1-2H3;1-2H3.
What are the key properties of but-2-yne;ethane;1,2,3,7-tetramethylpyrrolo[2,3-c]pyridine?
but-2-yne;ethane;1,2,3,7-tetramethylpyrrolo[2,3-c]pyridine has a molecular weight of 258.41 g/mol, XLogP of 4.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-yne;ethane;1,2,3,7-tetramethylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 90723925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).